Geometry & MOs

Info

ID:	11642
PubChem CID:	118430
Reduced:	N2O4H16C17 (1)
Stoich.:	A2B4C16D17 (1)
Weight, g/mol:	312.111007
ΔH_f, kcal/mol:	-101.06
Dipole, Da:	4.73
IP(EA), eV:	-7.96(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-diamino-2-(2-methoxyethoxy)anthracene-9,10-dione

Drug info:

PubChemData

Smile

COCCOC1=C(C2=C(C(=C1)N)C(=O)C3=CC=CC=C3C2=O)N

DOS

IR

Vibrations